TL;DR: (5E)-5-[(cyclopentylamino)methylidene]-1-(2,4-dimethylphenyl)-1,3-diazinane-2,4,6-trione (CAS 1164559-42-5) is a chemical compound with molecular formula C18H21N3O3 and molecular weight 327.1583 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(cyclopentyliminomethyl)-1-(2,4-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione
Also Known As: (5E)-5-[(cyclopentylamino)methylidene]-1-(2,4-dimethylphenyl)-1,3-diazinane-2,4,6-trione, 5-[(cyclopentylamino)methylidene]-1-(2,4-dimethylphenyl)-1,3-diazinane-2,4,6-trione, (5E)-5-[(cyclopentylamino)methylidene]-3-(2,4-dimethylphenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione, (E)-5-((cyclopentylamino)methylene)-1-(2,4-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C18H21N3O3 |
| Molecular Weight | 327.1583 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 82.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.1583 Da |
| Heavy Atoms | 24 |
| Complexity | 578.0 |
| SMILES | CC1=CC(=C(C=C1)N2C(=C(C(=O)NC2=O)C=NC3CCCC3)O)C |
| InChIKey | GVNPZRGMJNSETQ-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-5-[(cyclopentylamino)methylidene]-1-(2,4-dimethylphenyl)-1,3-diazinane-2,4,6-trione. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-[(cyclopentylamino)methylidene]-1-(2,4-dimethylphenyl)-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, (5E)-5-[(cyclopentylamino)methylidene]-1-(2,4-dimethylphenyl)-1,3-diazinane-2,4,6-trione has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (5E)-5-[(cyclopentylamino)methylidene]-1-(2,4-dimethylphenyl)-1,3-diazinane-2,4,6-trione is 1164559-42-5.
The molecular formula of (5E)-5-[(cyclopentylamino)methylidene]-1-(2,4-dimethylphenyl)-1,3-diazinane-2,4,6-trione is C18H21N3O3.
The molecular weight of (5E)-5-[(cyclopentylamino)methylidene]-1-(2,4-dimethylphenyl)-1,3-diazinane-2,4,6-trione is 327.1583 g/mol.
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